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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Plasma decay in hydrocarbons and hydrocarbon- and H 2 O-containing mixtures excited by high-voltage nanosecond discharge at elevated gas temperatures

Plasma decay after a high-voltage nanosecond discharge was experimentally and numerically studied in pure hydrocarbons (C 2 H 6 and C 3 H 8 ), and H 2 O:N 2 and C 3 H 8 :O 2 mixtures for pressures in the range 2–4 Torr and gas temperatures from 300 to 600 K. In a stoichiometric C 3 H 8 :O 2 mixture, plasma decay was also studied in a repetitively pulsed discharge for varing numbers of discharge pulses (varying degrees of fuel oxidation). The rate of plasma decay was determined from the temporal evolution of electron density measured using the microwave interferometer. It was observed that gas heating to 600 K leads to a decrease in the rate of plasma decay in all cases. The effect of heating on plasma decay was most profound in the H 2 O:N 2 mixture (after a single discharge pulse) and in the C 3 H 8 :O 2 mixture for high degrees of fuel oxidation. A kinetic scheme was developed to numerically simulate the plasma decay in hydrocarbons and combustible mixtures. Numerical analysis showed that, under the conditions studied, plasma decay was controlled by dissociative electron recombination with simple molecular and cluster ions. Gas heating led to a decrease in the rate of the electron-ion recombination and the rate of conversion of molecular ions to cluster ions. As a result, the gas temperature increase caused a decrease in the fraction of cluster ions for which the recombination coefficients are an order of magnitude higher than the recombination coefficients for molecular ions. The influence of gas heating on the decrease of the amount of cluster ions was more important when the ion composition was dominated by hydrated H 3 O + (H 2 O) k ions. The rates of the formation of these ions are extremely sensitive to any variations in gas temperature. A result, in agreement with our observations, gas heating led to an anomalous decrease in the rates of plasma decay in the H 2 O:N 2 mixture, as well as in the C 3 H 8 :O 2 mixture when H 2 O molecules were produced due to fuel oxidation.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1976

Performance documentation of the engineering model 30-cm diameter thruster

The results of extensive testing of two 30-cm ion thrusters which are virtually identical to the 900 series Engineering Model Thruster in an ongoing 15,000-hour life test are presented. Performance data for the nominal fullpower (2650 W) operating point; performance sensitivities to discharge voltage, discharge losses, accelerator voltage, and magnetic baffle current; and several power throttling techniques (maximum Isp, maximum thrust/power ratio, and two cases in between are included). Criteria for throttling are specified in terms of the screen power supply envelope, thruster operating limits, and control stability. In addition, reduced requirements for successful high voltage recycles are presented.

Bechtel, R. T.↗
DOE OSTI2020

Crystallographic characterization of a tri-Asp metal-binding site at the three-fold symmetry axis of LarE

Detailed crystallographic characterization of a tri-aspartate metal-binding site previously identified on the three-fold symmetry axis of a hexameric enzyme, LarE from Lactobacillus plantarum, was conducted. By screening an array of monovalent, divalent, and trivalent metal ions, we demonstrated that this metal binding site stoichiometrically binds Ca 2+ , Mn 2+ , Fe 2+ /Fe 3+ , Co 2+ , Ni 2+ , Cu 2+ , Zn 2+ , and Cd 2+ , but not monovalent metal ions, Cr 3+ , Mg 2+ , Y 3+ , Sr 2+ or Ba 2+ . Extensive database searches resulted in only 13 similar metal binding sites in other proteins, indicative of the rareness of tri-aspartate architectures, which allows for engineering such a selective multivalent metal ion binding site into target macromolecules for structural and biophysical characterization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Re-Engineering Poly(Acrylic Acid) Binder toward Optimized Electrochemical Performance for Silicon Lithium-Ion Batteries: Branching Architecture Leads to Balanced Properties of Polymeric Binders

Silicon is a promising anode material for lithium-ion batteries with its superior capacity. However, the drastic volume changes during lithiation/delithiation cycles hinder the cycling performance, resulting in particle pulverization, conductivity loss, and an unstable electrode-electrolyte interface. In this work, a series of synthetic polymeric binders, poly(acrylic acid-co-tetra(ethylene glycol) diacrylate)-featuring a poly(acrylic acid) (PAA) backbone branched via tetra(ethylene glycol) diacrylate (TEGDA)-are developed that edge toward evidencing well-balanced properties to confront capacity fading in Si-based electrodes. The incorporation of ether chain not only leads to the branching architecture of the PAA backbone, thus affecting its mechanical properties, but also promotes the conductivity of Li ions. As a result, a synergistic performance improvement is observed in both half and full cells. The best-performing cell using a branched PAA binder (bPAA) with a feeding molar ratio ([TEGDA]:[acrylic acid(AA)]) of 0.2 results in a 10% increase in initial capacity and a 31% increase in capacity retention over 100 cycles compared to the linear PAA cell. The cross-sectional microscopic images of the cycled electrodes reveal that bPAA binders can drastically reduce the electrode expansion. This improvement results from the well-balanced properties of the polymer design, which could guide further development for more advanced binder materials.

25 ENERGY STORAGE↗
DOE OSTI2026

Solvent–Diluent Engineering of Normal-Concentration Organosulfur Electrolytes for High-Voltage Lithium-Ion Batteries

Enabling high‑voltage batteries depends critically on rational electrolyte design. Conventional carbonate electrolytes with LiPF 6 suffer from insufficient oxidative stability, motivating the use of lithium bis(fluorosulfonyl)imide (LiFSI) for its superior high‑temperature and high‑voltage performance. However, LiFSI is relatively costly, and its electrolytes often require high concentrations to suppress aluminum current collector corrosion in cathode architectures and to adequately passivate electrode interfaces. Here, a low‑concentration LiFSI electrolyte is realized by combining a high‑voltage organosulfur solvent, ethyl methyl sulfone (EMS), with a non‑solvating fluorinated diluent, fluorobenzene (FB). Extended cycling of LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) full cells to 4.5 V reveals substantial long‑term performance advantages over conventional carbonate electrolytes. Comparison with a popular cyclic sulfone, tetramethylene sulfone (TMS), shows that ring‑containing structures such as TMS strongly influence passivation behavior, ultimately limiting performance and narrowing the viable operating window. Overall, EMS is identified as a uniquely stable solvent for LiFSI‑based electrolytes operating at moderately high voltages.

Dato, Michael A. [Argonne National Laboratory (ANL↗
DOE OSTI2019

An offshore solution to cobalt shortages via adsorption-based harvesting from seawater

The forecasted dominance of electric vehicles and the need for grid-scale energy storage have heightened concerns that cobalt, a key constituent of lithium-ion batteries, could become a critical limiting factor. With limited terrestrial resources and over half the global production coming from politically challenging regions increasing risk, a shortage of cobalt could be experienced by the early 2020s. Fortunately, the oceans contain about 70 times more cobalt than on land and can be harvested sustainably with passive adsorption technologies; and a symbiotic system using existing offshore structures to harvest cobalt could enhance the economic feasibility of seawater cobalt harvesting. Our study finds that retrofitting just 76 unused oil platforms in the Gulf of Mexico could extract an average of 27.3% of the nation’s 2017 cobalt consumption. New Offshore Opportunity for Underwater Cobalt Harvesting has the potential to reduce the cobalt supply pinch point in lithium-ion battery production.

42 ENGINEERING↗
DOE OSTI2025

Critically assessing sodium-ion technology roadmaps and scenarios for techno-economic competitiveness against lithium-ion batteries

Sodium-ion batteries have garnered notable attention as a potentially low-cost alternative to lithium-ion batteries, which have experienced supply shortages and price volatility for key minerals. Here we assess their techno-economic competitiveness against incumbent lithium-ion batteries using a modelling framework incorporating componential learning curves constrained by minerals prices and engineering design floors. We compare projected sodium-ion and lithium-ion price trends across over 6,000 scenarios while varying Na-ion technology development roadmaps, supply chain scenarios, market penetration and learning rates. Assuming that substantial progress can be made along technology roadmaps via targeted research and development, we identify several sodium-ion pathways that might reach cost-competitiveness with low-cost lithium-ion variants in the 2030s. In addition, we show that timelines are highly sensitive to movements in critical minerals supply chains—namely that of lithium, graphite and nickel. Our modelled outcomes suggest that being price advantageous against low-cost lithium-ion variants in the near term is challenging and increasing sodium-ion energy densities to decrease materials intensity is among the most impactful ways to improve competitiveness.

25 ENERGY STORAGE↗
DOE OSTI2018

A coupled rate theory-Monte Carlo model of helium bubble evolution in plasma-facing micro-engineered tungsten

A multiscale model of helium bubble evolution in plasma-facing materials is developed. The model links different stages of helium bubble evolution: deposition, nucleation, growth, motion, and coalescence. Helium deposition is simulated with the SRIM Monte Carlo program to give spatial information on helium and displacement damage distributions near the surface. This deposition profile is then introduced into a space-dependent rate theory of bubble nucleation and growth to describe the early stages of the distribution and size of helium bubbles. The coarsening stage of bubble evolution as a result of whole bubble motion, interaction, and coalescence is modeled by a new Object Kinetic Monte Carlo (OKMC) model, for which initial conditions are taken from the mean-field rate theory calculations. The model is compared to experimental data on low-energy helium plasma interaction with micro-engineered tungsten (W), and on high-energy helium ion deposition in flat W samples. Novel features of the multiscale model include: (1) space-dependent rate theory; (2) OKMC model of bubble motion in stress and temperature fields; and (3) application of the model to micro-engineered materials, and comparison with experiments on the same time-scale. At low helium ion energy, it is found that the mechanism of trap mutation is essential in achieving good agreement with experimental measurements. On the other hand, good agreement with experiments at high incident ion energy and temperature showed the importance of bubble coalescence and coarsening as main mechanisms. The results of the model are compared with experiments on flat W surfaces irradiated at high ion energy (30 keV), and with micro-engineered W, where the surface is coated with high-density micro-pillars at low ion energy (around 100 eV). The predicted average bubble radius and density are in qualitative agreement with experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Revealing the Atomic Origin of Heterogeneous Li-Ion Diffusion by Probing Na

Tracing the dynamic process of Li-ion transport at the atomic scale is a long-cherished wish in solid state ionics and essential for battery material engineering. Approaches via phase change, strain, and valence states of redox species are developed to circumvent the technical challenge of direct imaging Li, however, all are limited by poor spatial resolution and weak correlation with state-of-charge (SOC). Here, we adopt an ion-exchange approach by sodiating the de-lithiated cathode and probing Na distribution to trace the Li de-intercalation, which enables us to visualize the heterogeneous Li-ion diffusion down to atomic level. In the model LiNi1/3Mn1/3Co1/3O2 cathode, dislocation-mediated ion diffusion is kinetically favorable at low SOC and planar diffusion along (003) layers dominates at high SOC, which work synergistically to determine the ion diffusion dynamics. Our work unveils the heterogeneous nature of ion diffusion in battery material and stresses the role of defect engineering in tailoring ion transport kinetics.

Xiao, Biwei↗
DOE OSTI2025

Interphase Engineering Enabled by Using a Separator with Electrochemically Active Carbazole Polymers for Lithium-Ion Batteries

Separators are generally considered inert components in lithium-ion batteries. In the past, some electroactive polymers have been successfully applied in separator modifications for overcharge protection or as acid scavengers. This study highlights the first use of two “electroactive” carbazole polymers (copolymer 9-phenyl-9H-carbazole-phenyl [PCP] and poly(9-vinylcarbazole) [PVC]), which were each applied separately as coatings on the cathode-facing side of commercial Celgard 2325 separators, respectively, to enhance the cycling performance of 0.3Li 2 MnO 3 ·0.7LiMn 0.5 Ni 0.5 O 2 //graphite (LMR-NM//Gr) full cells through interphase engineering. The team observed an irreversible polymer oxidation process of the carbazole-functionalized polymers—occurring only during the first charge—for the modified separator cells, and the results were confirmed by dQ/dV analysis, cyclic voltammetry measurements, and nuclear magnetic resonance characterizations. During this oxidation, carbazole polymers participate in the process of interphase formation, contributing to the improved cycling performance of LMR-NM//Gr batteries. Particularly, oxidation takes place at voltages of ~4.0 and ~3.5 V when PCP and PVC are used as separator coatings, which is highly irreversible. Further postmortem examinations suggest that the improvements using these modified separators arise from the formation of higher-quality and more inorganic SEI, as well as the beneficial CEI enriched in LixPOyFz. These interphases effectively inhibit the crosstalk effect by reducing TM dissolution.

carbazole↗
DOE OSTI2025

In Situ Observation of Ion Migration in a Ferroelectric Ionic Conductor Rb-KTP during Thermal Annealing

Ion exchange in Rb-doped KTiOPO 4 has facilitated significant advancements in ferroelectric domain engineering, yet understanding the underlying mechanisms remains in its infancy. We perform time-of-flight secondary ion mass spectrometry analysis on multiple periodically ion-exchanged and periodically poled Rb-doped KTiOPO 4 samples under different temperatures and annealing durations. The results are compared between annealing in air, which involved ex situ annealing before periodic poling, and vacuum annealing conducted in situ after periodic poling. The Rb + diffusion profile after periodic ion exchange forms a tooth-shaped pattern. We show that in situ annealing causes a surface pinning effect on the nonpolar face, limiting Rb + migration along the polar axis at the surface. Once the pinned layer is removed through milling, the underlying Rb + diffusion is distinctively different from the surface. Additionally, the rate of Rb + diffusion during in situ annealing is linear, while the periodic domain structures remain stable after annealing. These results contribute to understanding the ionic diffusion process in a ferroelectric ionic conductor and using ion exchange to tailor the linear and nonlinear properties of KTiOPO 4 .

36 MATERIALS SCIENCE↗
NASA NTRS1976

Beam efflux measurements

Measurements have been made of the high energy thrust ions, (Group I), high angle/high energy ions (Group II), and high angle/low energy ions (Group IV) of a mercury electron bombardment thruster in the angular divergence range from 0 deg to greater than 90 deg. The measurements have been made as a function of thrust ion current, propellant utilization efficiency, bombardment discharge voltage, screen and accelerator grid potential (accel-decel ratio) and neutralizer keeper potential. The shape of the Group IV (charge exchange) ion plume has remained essentially fixed within the range of variation of the engine operation parameters. The magnitude of the charge exchange ion flux scales with thrust ion current, for good propellant utilization conditions. For fixed thrust ion current, charge exchange ion flux increases for diminishing propellant utilization efficiency. Facility effects influence experimental accuracies within the range of propellant utilization efficiency used in the experiments. The flux of high angle/high energy Group II ions is significantly diminished by the use of minimum decel voltages on the accelerator grid. A computer model of charge exchange ion production and motion has been developed. The program allows computation of charge exchange ion volume production rate, total production rate, and charge exchange ion trajectories for "genuine" and "facilities effects" particles. In the computed flux deposition patterns, the Group I and Group IV ion plumes exhibit a counter motion.

Komatsu, G. K.↗
DOE OSTI2022

Focusing Ions at Atmospheric Pressure using Nonlinear DC Voltage Sequences Applied to a Stacked Ring Ion Guide

Many modern ion mobility (IM) and mass spectrometers (MS) operate under low pressure (= 10 Torr) and employ high voltage radiofrequencies (RF) to provide ion confinement. Unfortunately, RF effectiveness drastically decreases as pressure increases, and few techniques for focusing ions at elevated pressures exist. Here we demonstrate a new approach for focusing ions at atmospheric pressure (AP) by applying nonlinear DC voltage sequences following quadratic and power (exponential) functions to a stacked ring ion guide. We used ion trajectory simulations to rigorously explore how ions react to nonlinear electric fields and validate the simulations with a set of ion current measurements performed at AP. Ion trajectory simulations show that ions initially defocus near the entrance of the device but then become intensely focused as they travel through the device. Contour plots for both nonlinear voltage sequences show electric field lines that increasingly curve inwards as a function of distance, resulting in spatial ion focusing. Experimental ion current and spot size measurements were performed at AP using a 10-cm stacked ring ion guide and a segmented Faraday cup detector. Quadratic sequences produced ~5% smaller spot sizes (~22.8 mm) and ~25% higher ion current compared to a linear voltage sequence (~24.0 mm). Alternatively, power sequences produced ~64% smaller spot sizes (~8.7 mm), albeit with ~10x lower ion current. However, both nonlinear voltage sequences produced similar ion currents at the center of the Faraday cup detector, indicating that higher ion densities are achieved when using nonlinear voltage gradients. These results demonstrate a new way to focus ions at AP, and the capabilities demonstrated here provide fundamental insights on how to keep ions inside analytical devices at elevated pressures without RF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2009

Simplified Ion Thruster Xenon Feed System for NASA Science Missions

The successful implementation of ion thruster technology on the Deep Space 1 technology demonstration mission paved the way for its first use on the Dawn science mission, which launched in September 2007. Both Deep Space 1 and Dawn used a "bang-bang" xenon feed system which has proven to be highly successful. This type of feed system, however, is complex with many parts and requires a significant amount of engineering work for architecture changes. A simplified feed system, with fewer parts and less engineering work for architecture changes, is desirable to reduce the feed system cost to future missions. An attractive new path for ion thruster feed systems is based on new components developed by industry in support of commercial applications of electric propulsion systems. For example, since the launch of Deep Space 1 tens of mechanical xenon pressure regulators have successfully flown on commercial spacecraft using electric propulsion. In addition, active proportional flow controllers have flown on the Hall-thruster-equipped Tacsat-2, are flying on the ion thruster GOCE mission, and will fly next year on the Advanced EHF spacecraft. This present paper briefly reviews the Dawn xenon feed system and those implemented on other xenon electric propulsion flight missions. A simplified feed system architecture is presented that is based on assembling flight-qualified components in a manner that will reduce non-recurring engineering associated with propulsion system architecture changes, and is compared to the NASA Dawn standard. The simplified feed system includes, compared to Dawn, passive high-pressure regulation, a reduced part count, reduced complexity due to cross-strapping, and reduced non-recurring engineering work required for feed system changes. A demonstration feed system was assembled using flight-like components and used to operate a laboratory NSTAR-class ion engine. Feed system components integrated into a single-string architecture successfully operated the engine over the entire NSTAR throttle range over a series of tests. Flow rates were very stable with variations of at most 0.2%, and transition times between throttle levels were typically 90 seconds or less with a maximum of 200 seconds, both significant improvements over the Dawn bang-bang feed system.

Snyder, John Steven↗
NASA NTRS1976

Performance documentation of the Engineering Model 30 cm diameter Thruster

Presented are the results of extensive testing of two 30-cm ion thrusters which are virtually identical to the 900 series Engineering Model Thruster in an ongoing 15,000-hour life test. Included are performance data for the nominal full-power (2650 W) operating point; performance sensitivities to discharge voltage, discharge losses, accelerator voltage, and magnetic baffle current; and several power throttling techniques (maximum Isp, maximum thrust/power ratio, and two cases in between). Criteria for throttling are specified in terms of the screen power supply envelope, thruster operating limits, and control stability. In addition, reduced requirements for successful high voltage recycles are presented.

Bechtel, R. T.↗
DOE OSTI2013

Effects of He and Ar ion kinetic energies in protection of organosilicate glass from O{sub 2} plasma damage

In-situ x-ray photoelectron spectroscopy (XPS) and ex-situ Fourier transform infrared studies of He plasma and Ar{sup +} ion bombardment pretreatments of organosilicate glass demonstrate that such pretreatments inhibit subsequent O{sub 2} plasma-induced carbon loss by forming a SiO{sub 2}-like damaged overlayer, and that the degree of protection correlates directly with increased ion kinetic energies, but not with the thickness of the SiO{sub 2} overlayer. This thickness is observed by XPS to be roughly constant and <1 nm regardless of ion energies involved. The data indicate that ion kinetic energies are an important parameter in protective noble gas plasma pretreatments to inhibit O{sub 2} plasma-induced carbon loss.

36 MATERIALS SCIENCE↗
NASA NTRS1977

High-power and 2.5 kW advanced-technology ion thruster

Investigations for improving ion thruster components in the 30 cm engineering model thruster (EMT) resulted in the demonstration of useful techniques for grid short removal and discharge chamber erosion monitoring, establishment of relationships between double ion production and thruster operating parameters, verification of satisfactory specifications on porous tungsten vaporizer material and barium impregnated porous tungsten inserts, demonstration of a new hollow cathode configuration, and specification of magnetic circuit requirements for reproducing desired magnetic mappings. The capacity of a 30 cm EMT to operate at higher beam voltages and currents (higher power) was determined. Operation at 2 A beam current and higher beam voltage is shown to be essentially equivalent to operation at 1.1 kV with regard to efficiency, lifetime and operating conditions. The only additional requirement is an improvement in high voltage insulation and propellant isolator capacity. Operation at minimum voltage and higher beam currents is shown to increase thruster discharge chamber erosion in proportion to beam current. Studies to find alternatives to molybdenum for manufacturing ion optics grids are also reported.

Poeschel, R. L.↗
DOE OSTI2014

Emulation of reactor irradiation damage using ion beams

The continued operation of existing light water nuclear reactors and the development of advanced nuclear reactor depend heavily on understanding how damage by radiation to levels degrades materials that serve as the structural components in reactor cores. The first high dose ion irradiation experiments on a ferritic-martensitic steel showing that ion irradiation closely emulates the full radiation damage microstructure created in-reactor are described. Ferritic-martensitic alloy HT9 (heat 84425) in the form of a hexagonal fuel bundle duct (ACO-3) accumulated 155 dpa at an average temperature of 443°C in the Fast Flux Test Facility (FFTF). Using invariance theory as a guide, irradiation of the same heat was conducted using self-ions (Fe++) at 5 MeV at a temperature of 460°C and to a dose of 188 displacements per atom. The void swelling was nearly identical between the two irradiation and the size and density of precipitates and loops following ion irradiation are within a factor of two of those for neutron irradiation. The level of agreement across all of the principal microstructure changes between ion and reactor irradiation establishes the capability of tailoring ion irradiation to emulate the reactor-irradiated microstructure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗